2-Chloro-7-nitroquinoxaline

Base Information

• Chemical Name: 2-Chloro-7-nitroquinoxaline
• CAS No.: 55686-94-7
• Molecular Formula: C8H4ClN3O2
• Molecular Weight: 209.592
• Hs Code.: 2933990090
• European Community (EC) Number: 232-531-0,668-614-7
• DSSTox Substance ID: DTXSID20398815
• Wikidata: Q82201009
• Mol file: 55686-94-7.mol

Synonyms:furcellaran;furcelleran E450;gum furcellaria

Chemical Property of 2-Chloro-7-nitroquinoxaline

Chemical Property:

• Melting Point: 188 °C
• Boiling Point: 350.5±37.0 °C(Predicted)
• PKA: -3.57±0.30(Predicted)
• PSA: 71.60000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 2.71460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 208.9992041
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-7-nitroquinoxaline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])Cl

Technology Process of 2-Chloro-7-nitroquinoxaline

There total 7 articles about 2-Chloro-7-nitroquinoxaline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

2-Hydroxy-7-nitroquinoxaline (89898-96-4) → 2-Chloro-7-nitroquinoxaline (55686-94-7)

Guidance literature:

With trichlorophosphate; for 3h; Reflux;

DOI:10.21577/0103-5053.20170018

Reference yield: 82.0%

7-nitroquinoxaline-N1-oxide (109541-16-4) → 2-Chloro-7-nitroquinoxaline (55686-94-7)

Guidance literature:

With trichlorophosphate; for 1.5h; Heating;

Reference yield:

2-hydroxyquinoxaline (1196-57-2,144499-26-3) → 2-Chloro-7-nitroquinoxaline (55686-94-7)

Guidance literature:

Multi-step reaction with 2 steps

1: nitric acid; acetic acid / 25 °C

2: phosphorus pentachloride; trichlorophosphate / 4 h / Reflux

With phosphorus pentachloride; nitric acid; acetic acid; trichlorophosphate;

DOI:10.1021/jm200161c

upstream raw materials:

7-nitroquinoxaline-2(1H)-one

7-nitroquinoxaline-N₁-oxide

2-Hydroxy-7-nitroquinoxaline

6-nitroquinoxaline

Downstream raw materials:

(E)-3-(3-(6-nitroquinoxalin-3-ylamino)phenyl)acrylic acid

3-(3-(6-nitroquinoxalin-3-ylamino)phenyl)propanoic acid

ethyl 3-(3-(6-nitroquinoxalin-3-ylamino)phenyl)propanoate

(E)-ethyl 3-(3-(6-nitroquinoxalin-3-ylamino)phenyl)acrylate